SCHEMBL7083243

SCHEMBL7083243

CNCCCn1c2c(c(=O)[nH]c1=O)CCCC2

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 10/20 0.51
▸ MAPT P10636 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.35
▸ LMNA P02545 3/20 0.35
▸ GAA P10253 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ SLC2A1 P11166 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ PAX8 Q06710 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14921953 0.81 PARP1 (0.55) PARP1MAPTKDM4ELMNAGAA
Hydrochloric Acid SCHEMBL7077252 0.80 PARP1 (0.48) PARP1
SCHEMBL5887737 0.77 PARP1 (0.55) PARP1MAPTKDM4EHTT
SCHEMBL7083771 0.75 PARP1 (0.52) PARP1MAPTKDM4ERAB9AMEN1
SCHEMBL5887934 0.74 PARP1 (0.48) PARP1MAPTLMNA
SCHEMBL7080676 0.71 PARP1 (0.49) PARP1
SCHEMBL20182558 0.70 EPHX2 (0.41) PARP1MAPTGAASMN1; SMN2NPSR1
SCHEMBL20182566 0.70 EPHX2 (0.41) PARP1MAPTGAASMN1; SMN2NPSR1
SCHEMBL6483613 0.69 PARP1 (0.47) PARP1MAPTGAAKMT2A
SCHEMBL7081394 0.68 PARP1 (0.43) PARP1MAPTKDM4ELMNASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6649618-B2 Prevention and/or therapy of ischaemia and reperfusion damage; poly(ADP-ribose)-synthetase inhibitors BAYER AKTIENGESELLSCHAFT (DE) 2003-11-18 — — US disclosed
US-20030022905-A1 Substituted amidoalkyl-uracils and their use BAYER AKTIENGESELLSCHAFT (DE) 2003-01-30 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030022905-A1 Substituted amidoalkyl-uracils and their use UNG, UMPS, TYMP PARP1 283/4885MAPT 3594/4885KDM4E 3875/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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